SCHEMBL17622686

SCHEMBL17622686

C/C=N/O/C(C)=C/c1ncnc(NC(C)C)c1C

nearest known ligand 0.31

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ MAPK13 O15264 1/20 0.31
▸ MAPK12 P53778 1/20 0.31
▸ MAPK11 Q15759 1/20 0.31
▸ MAPK14 Q16539 1/20 0.31
▸ LMNA P02545 1/20 0.30
▸ HTT P42858 1/20 0.30
▸ SMN1; SMN2 Q16637 1/20 0.30

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL17623358 0.85 — —
SCHEMBL17623004 0.80 MAPK13 (0.32) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL17623114 0.77 MAPK13 (0.31) MAPK13MAPK12MAPK11MAPK14LMNA
SCHEMBL16090066 0.77 — —
SCHEMBL16090140 0.76 — —
SCHEMBL17623364 0.75 — —
SCHEMBL16091214 0.68 AURKA (0.34) —
SCHEMBL17623119 0.66 — —
SCHEMBL17622758 0.65 CYP1A2 (0.33) —
SCHEMBL16090179 0.65 CYP1A2 (0.33) —

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016044641-A2 CARM1 INHIBITORS AND USES THEREOF Epizyme, Inc. (US) 2016-03-24 — — WO disclosed
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